CID 6245606

617694-20-9

Structural Information

Molecular Formula
C31H34N2O5
SMILES
CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C31H34N2O5/c1-4-32(5-2)17-18-33-28(23-11-13-24(34)14-12-23)27(30(36)31(33)37)29(35)26-16-15-25(19-21(26)3)38-20-22-9-7-6-8-10-22/h6-16,19,28,34-35H,4-5,17-18,20H2,1-3H3/b29-27+
InChIKey
GFLDJKGHCIPUFS-ORIPQNMZSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.24677 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.25405 227.6
[M+Na]+ 537.23599 230.9
[M-H]- 513.23949 237.4
[M+NH4]+ 532.28059 232.5
[M+K]+ 553.20993 225.4
[M+H-H2O]+ 497.24403 216.3
[M+HCOO]- 559.24497 243.9
[M+CH3COO]- 573.26062 248.2
[M+Na-2H]- 535.22144 220.3
[M]+ 514.24622 229.4
[M]- 514.24732 229.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.